SCHEMBL31095437

SCHEMBL31095437

O=[N+]([O-])c1cn(-c2c[nH]cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25211906 0.75 HTR2A (0.42) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL25191885 0.73 HTR2A (0.43) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL2159987 0.71 HTR2A (0.44) HTR2AHTR2CHTR2BL3MBTL1TAAR1
SCHEMBL31095390 0.71 ALDH1A1 (0.49) ALDH1A1PKMKDM4E
SCHEMBL44903 0.70
SCHEMBL27932470 0.69
SCHEMBL5666548 0.69 HTR2A (0.53) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL19031388 0.68 HTR2A (0.57) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL25196968 0.68 HTR2A (0.47) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL7240483 0.68 LMNA (0.42) HTR2AHTR2CHTR2BALDH1A1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed